Information card for entry 1574704

Structure parameters

• Formula: C104 H98 O15 P4 S4
• Calculated formula: C104 H98 O15 P4 S4
• Title of publication: Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture
• Authors of publication: Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11858 - 11869
• a: 10.5835 ± 0.0013 Å
• b: 14.1726 ± 0.0018 Å
• c: 17.216 ± 0.002 Å
• α: 70.458 ± 0.002°
• β: 77.061 ± 0.002°
• γ: 71.936 ± 0.002°
• Cell volume: 2292.7 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No